4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine

C23H40N2 — CID 6480545

IUPAC4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESC=C(C)[C@H]1CC=C(CNC2CCC(CC3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C23H40N2/c1-17(2)21-9-3-20(4-10-21)16-25-23-13-7-19(8-14-23)15-18-5-11-22(24)12-6-18/h3,18-19,21-23,25H,1,4-16,24H2,2H3/t18?,19?,21-,22?,23?/m0/s1
InChIKeyIKQZOWGVCKDHEM-DXYAOYNESA-N
MW344.59 g/mol
LogP5.34
Rot. Bonds6

About 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 6480545) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID6480545
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESC=C(C)[C@H]1CC=C(CNC2CCC(CC3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C23H40N2/c1-17(2)21-9-3-20(4-10-21)16-25-23-13-7-19(8-14-23)15-18-5-11-22(24)12-6-18/h3,18-19,21-23,25H,1,4-16,24H2,2H3/t18?,19?,21-,22?,23?/m0/s1
InChIKeyIKQZOWGVCKDHEM-DXYAOYNESA-N
XLogP5.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine (CID 6480545) is 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine is C=C(C)[C@H]1CC=C(CNC2CCC(CC3CCC(N)CC3)CC2)CC1.
What is the InChIKey of 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is IKQZOWGVCKDHEM-DXYAOYNESA-N. The full InChI is InChI=1S/C23H40N2/c1-17(2)21-9-3-20(4-10-21)16-25-23-13-7-19(8-14-23)15-18-5-11-22(24)12-6-18/h3,18-19,21-23,25H,1,4-16,24H2,2H3/t18?,19?,21-,22?,23?/m0/s1.
What are the key properties of 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 344.59 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 6480545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).